IRIS
LOMBARDO, Giuseppe Marcello
 Distribuzione geografica
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Continente #
NA - Nord America 2.722
AS - Asia 1.175
EU - Europa 1.128
SA - Sud America 229
AF - Africa 139
OC - Oceania 7
Continente sconosciuto - Info sul continente non disponibili 1
Totale 5.401
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Nazione #
US - Stati Uniti d'America 2.608
SG - Singapore 540
CN - Cina 434
UA - Ucraina 285
IE - Irlanda 269
BR - Brasile 209
IT - Italia 195
CA - Canada 105
CI - Costa d'Avorio 93
VN - Vietnam 91
RU - Federazione Russa 84
DE - Germania 83
SE - Svezia 64
FI - Finlandia 45
KR - Corea 29
FR - Francia 28
SN - Senegal 26
GB - Regno Unito 24
HK - Hong Kong 16
TR - Turchia 13
IN - India 9
AT - Austria 8
PL - Polonia 8
ZA - Sudafrica 8
AU - Australia 7
CH - Svizzera 7
LB - Libano 7
MX - Messico 7
NL - Olanda 7
UZ - Uzbekistan 7
EC - Ecuador 6
GR - Grecia 6
JP - Giappone 6
BD - Bangladesh 5
CZ - Repubblica Ceca 5
KE - Kenya 5
AR - Argentina 4
CO - Colombia 3
ID - Indonesia 3
NP - Nepal 3
TN - Tunisia 3
AZ - Azerbaigian 2
CL - Cile 2
EE - Estonia 2
ES - Italia 2
IQ - Iraq 2
JO - Giordania 2
KZ - Kazakistan 2
MA - Marocco 2
UY - Uruguay 2
VE - Venezuela 2
BA - Bosnia-Erzegovina 1
BW - Botswana 1
EG - Egitto 1
EU - Europa 1
GE - Georgia 1
KW - Kuwait 1
LT - Lituania 1
NO - Norvegia 1
PK - Pakistan 1
PS - Palestinian Territory 1
PY - Paraguay 1
RO - Romania 1
RS - Serbia 1
SI - Slovenia 1
SV - El Salvador 1
TT - Trinidad e Tobago 1
Totale 5.401
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Città #
Santa Clara 538
Singapore 371
Chandler 358
Jacksonville 352
Dublin 269
Chicago 232
Boardman 130
Catania 109
Abidjan 93
Hefei 90
Dong Ket 84
Nanjing 81
Toronto 78
Lawrence 76
Andover 75
Cambridge 75
Beijing 69
Ashburn 55
Dallas 44
Des Moines 43
Helsinki 41
San Mateo 41
Bremen 38
Nanchang 38
Council Bluffs 34
Seoul 29
Wilmington 28
Shenyang 27
Dakar 26
Civitanova Marche 24
Columbus 20
Grafing 19
Hebei 19
Ottawa 18
The Dalles 17
Hong Kong 16
San Francisco 16
São Paulo 16
Saint Petersburg 14
Changsha 13
Los Angeles 12
Tianjin 12
Jinan 10
New York 10
Belo Horizonte 9
Hangzhou 8
Guangzhou 7
Moscow 7
Nuremberg 7
Liberty Lake 6
Montreal 6
Rio de Janeiro 6
Tokyo 6
Jiaxing 5
Johannesburg 5
Munich 5
Phoenix 5
Seattle 5
Taizhou 5
Zhengzhou 5
Brasília 4
Falls Church 4
Fortaleza 4
Kunming 4
Melbourne 4
Messina 4
Mexico City 4
Nairobi 4
Naples 4
Salvador 4
Tashkent 4
Warsaw 4
Washington 4
Ankara 3
Atlanta 3
Brooklyn 3
Den Haag 3
Guayaquil 3
London 3
Milan 3
Misterbianco 3
Norwalk 3
Porto Alegre 3
Pune 3
Quito 3
Ribeirão das Neves 3
Rome 3
Santo André 3
Tappahannock 3
Adapazarı 2
Amman 2
Baku 2
Birmingham 2
Boston 2
Campo Grande 2
Cape Town 2
Carapicuíba 2
Charlotte 2
Curitiba 2
Dourados 2
Totale 3.979
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Nome #
1. High-field NMR spectroscopic techniques combined with molecular dynamics simulations for the study of the inclusion complexes of alpha- and beta-cyclodextrins with the cognition activator 3-phenoxypyridine sulfate (CI-844) 127
1. Force field parameters and molecular mechanics, molecular dynamics and quantum mechanical ab initio studies of 2,2,4,4,6,6-hexakis-(p-phenoxy-phenoxy-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-triene 122
1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit 104
Bond-order, stretched chemical bonds and electron correlation 93
An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties 90
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach 89
Molecular dynamics-modified-neglect-of-diatomic-overlap study of the thermal isomerization mechanism from cis to trans form in polyacetylene 89
CORRELATION-ENERGY OF DIATOMIC-MOLECULES VERSUS NUMBER OF ELECTRONS 88
Experimental and in silico characterization of a biologically active inosose 88
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections 87
X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups 86
Molecular dynamics simulations of polyphosphazenes: Poly[bis(chloro)phosphazene][NPCl2](n) 84
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory 84
Interfacial diffusion controlled reactions with time varying absorbing domains 83
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture 83
Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction 82
Relation between molecular and atomic correlation energies via overlap population 82
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view 80
ADPs simulations as an additional source of fine structural information 80
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation 80
From molecules and clusters of atoms to solid state properties 80
High field NMR techniques, molecular modelling and molecular dynamics simulations in the study of the inclusion complex of the cognition activator (±)-1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-cyclodextrin 79
Scaling properties of correlation energies of homonuclear diatoms 78
Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations 78
False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters 78
A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug 77
Correlation energies in polyatomic molecules modelled in terms of bond order 77
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry 76
Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons? 75
Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid 75
Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems 74
Functional hybrid co-crystals of humic substances: a growth forecast 72
Quantum mechanical studies of organometallic materials containing the Se-Te bond 72
Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data 72
Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal 72
Study of cis-trans isomerization of polyacetylene induced by doping 72
“Dissociation energies in polyatomic molecules and metal clusters” 71
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene 71
Structural, morphological, and modeling studies of N-(benzoyloxy)benzamide as a specific inhibitor of Type II inosine monophosphate dehydrogenase 69
Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach 69
NMR spectroscopic evidence and molecular dynamics studies on inclusion and non-inclusion phenomena between beta-cyclodextrin and new anti-Alzheimer's drugs tacrine (CI-970), velnacrine (HP-029) and suronacrine (HP-128) 68
Modeling and Analysis of the X-ray Powder Diffraction Structure of gamma-Zirconium Phosphates Pillared with Butyl Chains through Molecular Dynamics Simulations 65
A novel integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD) approach for modelling mixed-metal (Zn, Al) layered double hydroxides (LDHs) 65
Molecular Modeling and Large-Angle X-ray Scattering Studies of the Structure of Semicrystalline Poly[bis(phenoxy)phosphazene] 65
STUDY OF MIXED METAL (Cu/Zn/Al) LAYERED DOUBLE HYDROXIDES (LDHs) BY INTEGRATED X-RAY POWDER DIFFRACTION - MOLECULAR DYNAMICS (XRPD-MD) TECHNIQUE 65
Mesomeric and pi-moments in some hetero-conjugated compounds 65
Self-organization by chiral recognition based on ad hoc chiral pockets in cyclotriphosphazenes with binaphthoxy and biphenoxy substituents: an X-ray, NMR and computational study 64
High Field NMR Techniques, Molecular Modelling and Molecular Dynamics Simulations in the Study of the Inclusion Complexes of the Cognition Activator (±)-1-(4-methoxy-benzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-Cyclodextrin 64
Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates 63
Crystal structure and molecular mechanics, dynamics and quantum-mechanical ab initio studies of 2,2,4,4,6,6-hexakis(p-phenoxyphenoxy)-25,45,65-cyclotriphosphaza-1,3,5-triene 63
Structural Features and Molecular Assembly of Amorphous Phosphazenic Materials in the Bulk - Combined Theoretical and Experimental Techniques: Tris-(2,2-dioxy-1,1-binaphthyl)cyclotriphosphazene 62
Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions 62
Derivation of force field parameters for 2,2,4,4,6,6-hexakis-(alkyloxy)- and -(aryloxy)-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-trienes 62
A novel approach for direct modelling of the XRPD spectrum using MD simulation technique: application to the study of calcinated Layer Double Hydroxides 61
Self-Organization by Chiral Recognition Based on ad hoc Chiral Pockets in Cyclotriphosphazenes with Binaphthxy and Biphenoxy Substituents: An X-ray, NMR and Computational Study 61
A novel Integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD)approach for modelling mixed-metal (Zn, Al)Layer Double Hydroxides (LDHs) 60
A top-down approach to crystal engineering of a racemic Δ2-isoxazoline 59
Stereochemistry in solution of spiro-2,2'-dioxybiphenyl-cyclotriphosphazenes: an NMR spectroscopic study combined with molecular dynamics simulations 59
Derivation of Force Field Parameters for 2,2,4,4,6,6,-Hexakis-(alkyloxy)- and -(aryloxy)- 2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5,-trienes 57
The quantitative analysis of NOE in the rotatine frame: HR-NMR techniques combined with MD simulations in the case of the host-guest complexes with Cyclodextrins 55
MOLECULAR DYNAMICS (MD) AND POWDER X-RAY DIFFRACTION (XRD) COMBINED STUDY OF THE SOLID-STATE STRUCTURE OF LOW CRYSTALLINE MIXED-METAL (Cu, Zn, Al) LAYERED DOUBLE HYDROXYDES (LDHs) 54
Anomalous sorption kinetics of self-interacting particles by a spherical trap 53
Electronic structure of clusters (LiBC)n: n=1, 2 and 4 53
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN 53
Molecular Dynamics (MD) Simulations and Large-Angle X-ray Scattering (LAXS) Studies of the Solid-State Structure and Assembly of Isotactic (R)-Poly(2,2-dioxy-1,1-binaphthyl-)phosphazene in the Bulk State and in the Cast Film 52
Molecular Modeling of Interactions between L-Lysine and a Hydroxylated Quartz Surface 52
Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph 52
First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison 49
From the X-rays to a reliable "low cost" computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases RID A-4921-2011 49
Integrated XRPD-MD Study of Thermal Effects on Mixed Metal (Cu/Zn/Al) Layered Double Hydroxides (LDHs), Precursors for the OSRM Reaction Catalysts 48
THERMAL EFFECTS ON MIXED METAL (ZN/AL) LAYERED DOUBLE HYDROXIDES (LDHS): DIRECT MODELLING OF THE X-RAY POWDER DIFFRACTION (XRPD) LINE-SHAPE THROUGTH MOLECULAR DYNAMICS (MD) SIMULATIONS 48
Integrated X-ray Diffraction - Molecular Dynamics Study of Ternary (Cu/Zn/Al) Hydrotalcite-like Compounds containing two Different Interlayer Anions 48
Novel Integrated X-ray Diffraction and Molecular Dynamics Approaches for Structure Analysis 47
Molecular Dynamics Simulations Combined with Large Angle X-ray Scattering Technique For the Determination of the Structure, Conformation, and Conformational Dynamics of Polyphosphazenes in Amorphous Phase: Study of Poly[di-(4-methylphenoxy)phosphazene] 47
Tsallis q-exponentials as atomic orbitals in two-electron systems 46
Wrapping and unwrapping an indicaxanthin molecule: A computational approach 45
A Potentially Alternative Route to Predict Crystal Morphologies of Indicaxanthin Crystals 44
Elucidation of the Chiral Recognition Mechanism of Cinchona Alkaloid Carbamate-type Receptors for 3,5-Dinitrobenzoyl Amino Acids 44
Force field and quantum mechanical study of 3-aminopropyltriethoxy silane sorption on hydroxyl free yttria surface 42
Tecniche Spettroscopiche NMR ad Alto Campo e di Simulazione Dinamica Applicate allo Studio di Complessi di Inclusione con Ciclodestrine 40
Totale 5.499
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Categoria #
all - tutte 19.702
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 19.702
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021519 0 0 76 2 122 12 68 0 62 0 71 106
2021/2022622 72 76 3 23 106 3 80 13 60 0 8 178
2022/2023963 84 51 10 125 101 173 3 154 220 6 22 14
2023/2024462 31 46 13 32 13 90 0 25 1 91 72 48
2024/20251.835 35 423 85 50 433 198 98 81 80 134 98 120
2025/2026386 191 141 54 0 0 0 0 0 0 0 0 0
Totale 5.499